ethyl 2-[5-[2-[(5-prop-2-enyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanoylamino]-1,3,4-thiadiazol-2-yl]ethanoate

Systemtic Name: ethyl 2-[5-[2-[(5-prop-2-enyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanoylamino]-1,3,4-thiadiazol-2-yl]ethanoate Openeye Name: ethyl 2-[5-[[2-[(5-allyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]acetate CAS Name: 2-[5-[[1-oxo-2-[(5-prop-2-enyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]ethyl]amino]-1,3,4-thiadiazol-2-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-[[2-[(5-prop-2-enyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]acetate Traditional Name: 2-[5-[[2-[(5-allyl-[1,2,4]triazin[5,6-b]indol-3-yl)thio]acetyl]amino]-1,3,4-thiadiazol-2-yl]acetic acid ethyl ester Formula: C20H19N7O3S2 MolecularWeight: 469.53996

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN=C(S1)NC(=O)CSC2=NC3=C(C4=CC=CC=C4N3CC=C)N=N2

Isomeric SMILES

CCOC(=O)CC1=NN=C(S1)NC(=O)CSC2=NC3=C(C4=CC=CC=C4N3CC=C)N=N2

InChI

InChI=1S/C20H19N7O3S2/c1-3-9-27-13-8-6-5-7-12(13)17-18(27)22-19(25-24-17)31-11-14(28)21-20-26-23-15(32-20)10-16(29)30-4-2/h3,5-8H,1,4,9-11H2,2H3,(H,21,26,28)