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

Systemtic Name: 1-[4-(4-phenethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[4-(4-phenethyl-5-thioxo-1H-1,2,4-triazol-3-yl)phenyl]thiourea CAS Name: 1-[4-(4-phenethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]-3-prop-2-enylthiourea IUPAC Name: 1-[4-(4-phenethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[4-(4-phenethyl-5-thioxo-1H-1,2,4-triazol-3-yl)phenyl]thiourea Formula: C20H21N5S2 MolecularWeight: 395.54424

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)NC1=CC=C(C=C1)C2=NNC(=S)N2CCC3=CC=CC=C3

Isomeric SMILES

C=CCNC(=S)NC1=CC=C(C=C1)C2=NNC(=S)N2CCC3=CC=CC=C3

InChI

InChI=1S/C20H21N5S2/c1-2-13-21-19(26)22-17-10-8-16(9-11-17)18-23-24-20(27)25(18)14-12-15-6-4-3-5-7-15/h2-11H,1,12-14H2,(H,24,27)(H2,21,22,26)