1-phenyl-3-[3-(1H-1,2,4-triazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]thiourea

Systemtic Name: 1-phenyl-3-[3-(1H-1,2,4-triazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]thiourea Openeye Name: 1-phenyl-3-[3-(1H-1,2,4-triazol-5-yl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]thiourea CAS Name: 1-phenyl-3-[3-(1H-1,2,4-triazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]thiourea IUPAC Name: 1-phenyl-3-[3-(1H-1,2,4-triazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]thiourea Traditional Name: 1-phenyl-3-[3-(1H-1,2,4-triazol-5-yl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]thiourea Formula: C17H17N5S2 MolecularWeight: 355.48038

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=S)NC3=CC=CC=C3)C4=NC=NN4

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=S)NC3=CC=CC=C3)C4=NC=NN4

InChI

InChI=1S/C17H17N5S2/c23-17(20-11-6-2-1-3-7-11)21-16-14(15-18-10-19-22-15)12-8-4-5-9-13(12)24-16/h1-3,6-7,10H,4-5,8-9H2,(H,18,19,22)(H2,20,21,23)