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

Systemtic Name: 1-[4-(4-cyclohexyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[4-(4-cyclohexyl-5-thioxo-1H-1,2,4-triazol-3-yl)phenyl]thiourea CAS Name: 1-[4-(4-cyclohexyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]-3-prop-2-enylthiourea IUPAC Name: 1-[4-(4-cyclohexyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[4-(4-cyclohexyl-5-thioxo-1H-1,2,4-triazol-3-yl)phenyl]thiourea Formula: C18H23N5S2 MolecularWeight: 373.53872

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)NC1=CC=C(C=C1)C2=NNC(=S)N2C3CCCCC3

Isomeric SMILES

C=CCNC(=S)NC1=CC=C(C=C1)C2=NNC(=S)N2C3CCCCC3

InChI

InChI=1S/C18H23N5S2/c1-2-12-19-17(24)20-14-10-8-13(9-11-14)16-21-22-18(25)23(16)15-6-4-3-5-7-15/h2,8-11,15H,1,3-7,12H2,(H,22,25)(H2,19,20,24)