1-[2-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-3-prop-2-enyl-thiourea

Systemtic Name: 1-[2-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[[2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiourea CAS Name: 1-[[1-oxo-2-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]ethyl]amino]-3-prop-2-enylthiourea IUPAC Name: 1-[[2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[[2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)thio]acetyl]amino]thiourea Formula: C21H22N6OS2 MolecularWeight: 438.56898

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)NNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

C=CCNC(=S)NNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H22N6OS2/c1-2-13-22-20(29)25-24-19(28)15-30-21-26-23-18(14-16-9-5-3-6-10-16)27(21)17-11-7-4-8-12-17/h2-12H,1,13-15H2,(H,24,28)(H2,22,25,29)