1-phenyl-3-[4-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]thiourea

Systemtic Name: 1-phenyl-3-[4-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]thiourea Openeye Name: 1-[4-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)phenyl]-3-phenyl-thiourea CAS Name: 1-phenyl-3-[4-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]thiourea IUPAC Name: 1-phenyl-3-[4-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]thiourea Traditional Name: 1-[4-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)phenyl]-3-phenyl-thiourea Formula: C18H17N5S2 MolecularWeight: 367.49108

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NNC1=S)C2=CC=C(C=C2)NC(=S)NC3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=NNC1=S)C2=CC=C(C=C2)NC(=S)NC3=CC=CC=C3

InChI

InChI=1S/C18H17N5S2/c1-2-12-23-16(21-22-18(23)25)13-8-10-15(11-9-13)20-17(24)19-14-6-4-3-5-7-14/h2-11H,1,12H2,(H,22,25)(H2,19,20,24)