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

Systemtic Name: 1-[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiourea CAS Name: 1-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-3-prop-2-enylthiourea IUPAC Name: 1-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]acetyl]amino]thiourea Formula: C20H20N6OS2 MolecularWeight: 424.5424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N6OS2/c1-2-13-21-19(28)24-22-17(27)14-29-20-25-23-18(15-9-5-3-6-10-15)26(20)16-11-7-4-8-12-16/h2-12H,1,13-14H2,(H,22,27)(H2,21,24,28)