4-(diethylaminomethyl)-N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]benzamide

Systemtic Name: 4-(diethylaminomethyl)-N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]benzamide Openeye Name: N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]-4-(diethylaminomethyl)benzamide CAS Name: 4-(diethylaminomethyl)-N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-2-thiazolyl]benzamide IUPAC Name: 4-(diethylaminomethyl)-N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]benzamide Traditional Name: N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]-4-(diethylaminomethyl)benzamide Formula: C21H26N6OS2 MolecularWeight: 442.60074

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC=C(C=C1)C(=O)NC2=NC(=C(S2)C3=NNC(=S)N3CC=C)C

Isomeric SMILES

CCN(CC)CC1=CC=C(C=C1)C(=O)NC2=NC(=C(S2)C3=NNC(=S)N3CC=C)C

InChI

InChI=1S/C21H26N6OS2/c1-5-12-27-18(24-25-21(27)29)17-14(4)22-20(30-17)23-19(28)16-10-8-15(9-11-16)13-26(6-2)7-3/h5,8-11H,1,6-7,12-13H2,2-4H3,(H,25,29)(H,22,23,28)